Allyl hexanoate

Allyl hexanoate

Names
Preferred IUPAC name Prop-2-en-1-yl hexanoate
Other names Prop-2-enyl hexanoate Allyl hexanoate Allyl caproate Allyl n-caproate 2-Propenyl n-hexanoate Hexanoic acid 2-propenyl ester
Identifiers
CAS Number	123-68-2 N
3D model (Jmol)	Interactive image Interactive image
ChemSpider	29006 Y
ECHA InfoCard	100.004.222
EC Number	204-642-4
PubChem	31266
InChI InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 Y Key: RCSBILYQLVXLJG-UHFFFAOYSA-N Y InChI=1/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 Key: RCSBILYQLVXLJG-UHFFFAOYAX
SMILES CCCCCC(OCC=C)=O O=C(OCC=C)CCCCC
Properties
Chemical formula	C9H16O2
Molar mass	156.23 g·mol−1
Appearance	Colorless to pale yellow clear liquid[1]
Density	0.887 g/mL[2] 0.884-0.892 g/mL[1]
Boiling point	190 to 191 °C (374 to 376 °F; 463 to 464 K)[1] 75-76 °C (15 mmHg)[2]
Solubility in water	Insoluble[1]
Hazards
R-phrases	R22 R24 R51/53
S-phrases	(S2) S26 S36/37/39 S45 S61
Flash point	66 °C (151 °F; 339 K) [1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Allyl hexanoate is a colorless to pale yellow clear liquid.

Uses

Allyl hexanoate is employed principally in the formulation of pineapple flavors but it can also be used for peach and apricot essences and for apple blossom, peach blossom, and wisteria perfume compositions.^[1] Allyl caproate is an ingredient of some lipstick perfumes. It also adds a sweet juicy note to citrus flavors. It is also used as an additive to cigarettes.

References